SCHEMBL674830

SCHEMBL674830

CS(=O)(=O)C(=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.38
CYP19A1 P11511 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP3A5 P20815 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
GPX4 P36969 6/20 0.36
SLC6A9 P48067 3/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
BCL2 P10415 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6011807 0.93 OPRD1 (0.39) CYP3A4CYP3A5OPRM1OPRD1GPX4
SCHEMBL5081545 0.92 OPRD1 (0.39) CYP2D6CYP19A1CYP3A4CYP3A5OPRM1
SCHEMBL3295167 0.92 OPRM1 (0.35) CYP2D6CYP19A1CYP3A4CYP3A5OPRM1
SCHEMBL3297746 0.92 GPX4 (0.36) CYP2D6CYP19A1CYP3A4CYP3A5OPRM1
SCHEMBL5078896 0.92 OPRM1 (0.35) CYP2D6CYP19A1CYP3A4CYP3A5OPRM1
SCHEMBL3297620 0.92 OPRM1 (0.35) CYP2D6CYP19A1CYP3A4CYP3A5OPRM1
SCHEMBL5075660 0.92 OPRD1 (0.39) CYP2D6CYP19A1CYP3A4CYP3A5OPRM1
SCHEMBL3297750 0.92 GPX4 (0.36) CYP2D6CYP19A1CYP3A4CYP3A5OPRM1
SCHEMBL5082075 0.92 OPRD1 (0.39) CYP2D6CYP19A1CYP3A4CYP3A5OPRM1
SCHEMBL5078266 0.92 OPRM1 (0.35) CYP2D6CYP19A1CYP3A4CYP3A5OPRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 175 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058264-B2 Pharmaceutical compositions comprising CB1 cannabinoid receptor antagonists and potassium channel openers for the treatment of obesity and related conditions ABBOTT PRODUCTS GMBH (DE) 2011-11-15 US claimed
US-7763607-B2 Pharmaceutical compositions comprising CBx cannabinoid receptor modulators and potassium channel modulators SOLVAY PHARMACEUTICALS GMBH (DE) 2010-07-27 US claimed
EP-2084127-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-08-05 EP claimed
EP-2064199-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-06-03 EP claimed
EP-2026798-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS Solvay Pharmaceuticals GmbH (DE) 2009-02-25 EP claimed
EP-2012775-A1 USE OF CBX CANNABINOID RECEPTOR MODULATORS AS POTASSIUM CHANNEL MODULATORS Solvay Pharmaceuticals GmbH (DE) 2009-01-14 EP claimed
EP-1328269-B2 ASSOCIATION OF A CB1 RECEPTOR ANTAGONIST AND SIBUTRAMIN FOR TREATING OBESITY AVENTIS PHARMA SA (FR) 2008-07-30 EP claimed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 WO claimed
WO-2008032156-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-03-20 WO claimed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 US claimed
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2003-08-28 US claimed
EP-1328269-A2 ASSOCIATION OF THE CB1 RECEPTOR ANTAGONIST AND A SIBUTRAMIN FOR TREATING OBESITY Aventis Pharma S.A. (FR) 2003-07-23 EP claimed
EP-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP claimed
WO-2003018060-A1 COMPOSITION FOR TREATING PARKINSON'S DISEASE CONTAINING A CB1 RECEPTOR ANTAGONIST AND A PRODUCT ACTIVATING DOPAMINERGIC NEUROTRANSMISSION IN THE BRAIN AVENTIS PHARMA S.A. (FR) 2003-03-06 WO claimed
US-6518264-B2 For treatment/prevention of psychoses, other brain disorders, and cardiovascular disorders AVENTIS PHARMA S.A. (FR) 2003-02-11 US claimed
US-20020091114-A1 Combination of a CB1 receptor antagonist and of sibutramine, the pharmaceutical compositions comprising them and their use in the treatment of obesity AVENTIS PHARMA S.A. (FR) 2002-07-11 US claimed
WO-2002028346-A2 ASSOCIATION OF THE CB1 RECEPTOR ANTAGONIST AND SIBUTRAMIN, FOR TREATING OBESITY AVENTIS PHARMA S.A. (FR) 2002-04-11 WO claimed
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 US claimed
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP claimed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 CYP2D6 154/4885CYP19A1 383/4885CYP3A4 451/4885
US-20020091114-A1 Combination of a CB1 receptor antagonist and of sibutramine, the pharmaceutical compositions comprising them and their use in the treatment of obesity CNR2, CNR1, GPR119 CYP2D6 1341/4885CYP19A1 949/4885CYP3A4 1369/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 CYP2D6 17/4885CYP19A1 123/4885CYP3A4 15/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 CYP2D6 64/4885CYP19A1 418/4885CYP3A4 40/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.